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Home > Nitro Compounds > 860609-03-6
860609-03-6 | 6-nitro-2-phenyl-1H-1,3-benzodiazol-1-yl N,N-dimethylcarbamate
CAS No: 860609-03-6 Catalog No: AG00IOVL MDL No:MFCD04124007
Product Description
Catalog Number:
AG00IOVL
Chemical Name:
6-nitro-2-phenyl-1H-1,3-benzodiazol-1-yl N,N-dimethylcarbamate
CAS Number:
860609-03-6
Molecular Formula:
C16H14N4O4
Molecular Weight:
326.3068
MDL Number:
MFCD04124007
IUPAC Name:
(6-nitro-2-phenylbenzimidazol-1-yl) N,N-dimethylcarbamate
InChI:
InChI=1S/C16H14N4O4/c1-18(2)16(21)24-19-14-10-12(20(22)23)8-9-13(14)17-15(19)11-6-4-3-5-7-11/h3-10H,1-2H3
InChI Key:
KWMPRXPVHMTRIS-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)On1c(nc2c1cc(cc2)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.102g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.312g/mol
Monoisotopic Mass:
326.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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